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GGA and GGA + U Study of ThMn(2)Si(2) and ThMn(2)Ge(2) Compounds in a Body-Centered Tetragonal Ferromagnetic Phase
Our study used the full-potential linearized augmented plane waves (FP-LAPW) method to conduct a first-principles evaluation of the structural, electronic, and magnetic properties of ThMn(2)X(2) (X = Si and Ge) compounds. To establish theoretical dependability with the currently available experiment...
Autores principales: | , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9609203/ https://www.ncbi.nlm.nih.gov/pubmed/36296662 http://dx.doi.org/10.3390/molecules27207070 |